N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide

Systemtic Name: N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butyramide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)CCCSC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)CCCSC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C20H24N2O3S2/c1-20(2)11-15-18(16(23)12-20)27-19(21-15)22-17(24)5-4-10-26-14-8-6-13(25-3)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,21,22,24)